Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1611178 | 0.89 | CYP2A6 (0.50) | KMT2ACYP2A6MEN1 | |
| SCHEMBL7222635 | 0.87 | APP (0.41) | ALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL293565 | 0.87 | HSD17B10 (0.48) | ALDH3A1ALDH1A3CYP2A6TRPA1 | |
| SCHEMBL1610150 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KMT2ATSHRCYP2A6 | |
| SCHEMBL653095 | 0.87 | NFE2L2 (0.43) | KMT2ATRPA1MEN1 | |
| SCHEMBL18243003 | 0.87 | APP (0.39) | ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL5641505 | 0.87 | ALDH1A1 (0.50) | ALDH1A1KMT2ATSHRMEN1 | |
| SCHEMBL18378139 | 0.87 | LMNA (0.39) | ALDH1A1ALDH3A1ALDH1A3KMT2ACYP2A6 | |
| SCHEMBL135039 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KMT2ATSHRCYP2A6TRPA1 | |
| SCHEMBL1610001 | 0.85 | LPL (0.43) | ALDH1A1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007149163-A2 | BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS | UNIVERSITY OF KENTUCKY (US) | 2007-12-27 | — | — | WO | claimed |
| US-6906226-B2 | Hydroxymethyl-substituted polyfunctional phenols | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2005-06-14 | — | — | US | disclosed |
| EP-1501830-A1 | 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | Actelion Pharmaceuticals Ltd. (CH) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093267-A1 | 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-11-13 | — | — | WO | disclosed |